SCHEMBL3601290

SCHEMBL3601290

Cc1ccccc1OC[C@@H]1CCCN1c1ncnc2[nH]cnc12

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 13/20 0.72
FFAR2 O15552 1/20 0.42
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB3 Q05901 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2201950 1.00 METAP2 (0.72) METAP2FFAR2CHRNB4CHRNA3CHRNB2
SCHEMBL2201957 1.00 METAP2 (0.72) METAP2FFAR2CHRNB4CHRNA3CHRNB2
SCHEMBL2199826 0.90 METAP2 (0.58) METAP2FFAR2CHRNB4CHRNA3ADORA3
SCHEMBL2199840 0.90 METAP2 (0.58) METAP2FFAR2CHRNB4CHRNA3ADORA3
SCHEMBL2198194 0.88 METAP2 (0.56) METAP2FFAR2CHRNB4CHRNA3ADORA3
SCHEMBL2202736 0.88 METAP2 (0.56) METAP2FFAR2CHRNB4CHRNA3ADORA3
SCHEMBL2198189 0.88 METAP2 (0.61) METAP2FFAR2ADORA3ADORA2AADORA1
SCHEMBL2201270 0.88 METAP2 (0.56) METAP2FFAR2CHRNB4CHRNA3ADORA3
SCHEMBL2198182 0.88 METAP2 (0.61) METAP2FFAR2ADORA3ADORA2AADORA1
SCHEMBL2203237 0.88 METAP2 (0.72) METAP2FFAR2CHRNB4CHRNA3ADORA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912994-B1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-12 EP claimed
US-20100160352-A1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-24 US claimed
EP-1912994-B1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100160352-A1 ADENINE DERIVATIVES HSP90AA1, TRAP1, HSP90AB1 METAP2 3595/4885FFAR2 4622/4885CHRNB4 4645/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.